Difference between revisions of "Methyl group.m"
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xyz=methyl_group(c_xyz,cc_th,cc_ph,phase) | xyz=methyl_group(c_xyz,cc_th,cc_ph,phase) | ||
| − | == | + | ==Parameters== |
c_xyz - coordinates of C, row vector, Angstrom | c_xyz - coordinates of C, row vector, Angstrom | ||
Revision as of 18:50, 5 June 2026
Coordinates for the four atoms of a methyl group.
Syntax
xyz=methyl_group(c_xyz,cc_th,cc_ph,phase)
Parameters
c_xyz - coordinates of C, row vector, Angstrom
cc_th - polar theta angle of the C-C bond, radians
cc_ph - polar phi angle of the C-C bond, radians
phase - phase of the methyl group with respect to
its rotation around the C-C bond, radians
Outputs
xyz - a column cell array of Cartesian XYZ row
vectors; carbon is the first atom
See also
gparse.m, g2spinach.m, oparse.m Version 2.3, authors: Ilya Kuprov
